Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Structure of PDB 7p6u Chain A Binding Site BS02

Receptor Information
>7p6u Chain A (length=772) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLELPVLPLRNTVVLPHTTTGVDVGRLKSKRAVEEALSADRLLFLVTQKD
PEVDDPAPEDLYAVGTLAVVKQAMRLPDGTLQVMVEARSRARLLSYVAAP
YLRAVGEAIPEPPLKDPELARVLVNEVQEAFERYLQNHKTLRLDRYQQEA
VKSTRDPAILADLVAHHATWTLEEKQTILETPEVEERLKRVLALLLRDLE
RFELDKKIAARVKEQMDQNQREYYLREQMKAIQKELGGGEDFLTEIEELR
ERIEKKGMPEPVKEKALKELKRLERMQPGSPEATVSRTYLDWLLEVPWTE
ADPEVLDISVTKRVLDEDHYGLKEVKERILEYLAVRQLTQGKEVKGHAPI
LCFVGPPGVGKTSLGKSIARSMNRRFHRISLGGVRDEAEIRGHRRTYIGA
LPGKIIQGMKQVGVVNPVFLLDEIDKLSSDWRGDPAAALLEVLDPEQNHT
FTDHYLDVPYDLSKVFFITTANTLSTIPRPLLDRMEVIEIPGYTLHEKRA
IARYFRWPFQVKEAGLEGRLEITDRAIERIVQEYTREAGVRNLDRELSKV
ARKAAKDYLEKPWEGVRVVDAEDLEAYLGVPKYRPDRAEKEPQVGAAQGL
AWTPYGGTLLTIEAVAVPGTGKVNLTGNLGEVMKESAHAALTYLRAHREE
WGLPEGFHKDYDLHIHVPEGATPKDGPSAGITIATALASALTGRPVRMDI
AMTGEITLRGRVLPIGGVKEKLLAAHQAGIHRVILPKENAAELKEVPEEI
LKDLEIHFVEEVGEVLKLLLLP
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain7p6u Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7p6u Cryo-EM structure of the full-length Lon protease from Thermus thermophilus.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		D323 H324 G363 V364 G365 K366 T367 S368 D427 T475 Y498 I506 F510 R511 R546
Binding residue
(residue number reindexed from 1)		D318 H319 G358 V359 G360 K361 T362 S363 D422 T470 Y493 I501 F505 R506 R541
Annotation score3
Enzymatic activity
Enzyme Commision number 3.4.21.53: endopeptidase La.
Gene Ontology
Molecular Function
GO:0004176 ATP-dependent peptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0005524 ATP binding
GO:0008236 serine-type peptidase activity
GO:0016887 ATP hydrolysis activity
GO:0043565 sequence-specific DNA binding
Biological Process
GO:0006508 proteolysis
GO:0006515 protein quality control for misfolded or incompletely synthesized proteins
GO:0030163 protein catabolic process
GO:0034605 cellular response to heat
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7p6u, PDBe:7p6u, PDBj:7p6u
PDBsum7p6u
PubMed34591981
UniProtQ72KS4|LON1_THET2 Lon protease 1 (Gene Name=lon1)

[Back to BioLiP]

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417